Vitas-M small molecule compound
(5-bromo-4-{(1E)-3-[(3-chloro-4-methylphenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetic acid
Catalog ID
STK185250
SMILES N#C/C(=C\c1cc(OC)c(cc1Br)OCC(=O)O)/C(=O)Nc1ccc(c(c1)Cl)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H16BrClN2O5 MW 479.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrClN2O5/c1-11-3-4-14(7-16(11)22)24-20(27)13(9-23)5-12-6-17(28-2)18(8-15(12)21)29-10-19(25)26/h3-8H,10H2,1-2H3,(H,24,27)(H,25,26)/b13-5+InChIKey
ACXLQMFDWXTMGB-WLRTZDKTSA-NSynonyms
767318-75-2(5BROMO4((1E)3((3CHLORO4METHYLPHENYL)AMINO)2CYANO3OXOPROP1EN1YL)2METHOXYPHENOXY)ACETICACID
2(5bromo4((E)3(3chloro4methylanilino)2cyano3oxoprop1enyl)2methoxyphenoxy)aceticacid
767318752
CC1=C(C=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2Br)OCC(=O)O)OC)C#N)Cl
InChI=1SC20H16BrClN2O5c1113414(716(11)22)2420(27)13(923)512617(282)18(815(12)21)291019(25)26h38H10H212H3(H2427)(H2526)b135+
MFCD03729380
N#CC(=Cc1cc(OC)c(cc1Br)OCC(=O)O)C(=O)Nc1ccc(c(c1)Cl)C
ZINC000009907212
ZINC9907212
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